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Compound Detail

CHEMBL463453

DIHYDROMORIN
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O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL463453
Name DIHYDROMORIN
Phase Preclinical
Structure Type MOL
InChI Key QIWOFDHUQPJCJF-LSDHHAIUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

304.2
MW (Da)
1.19
ALogP
7
HBA
5
HBD
127.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H12O7
MW 304.25
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 2.21

Activity Summary

IC50 1 meas. best 4.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin G/H synthase 1
CHEMBL221
IC50 4.17 4.17 67100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prostaglandin G/H synthase 1 IC50 = 67100.0 nM 4.17 Inhibition of COX1 11858749

Literature References

PubMed DOI Target Context # Activities
11678652 10.1021/np010288l Aromatase 1
11858749 10.1021/np010451c Prostaglandin G/H synthase 1 1
11858749 10.1021/np010451c Unchecked 1
11858749 10.1021/np010451c Prostaglandin G/H synthase 2 1
26481151 10.1016/j.bmc.2015.09.042 RAW264.7 1
26481151 10.1016/j.bmc.2015.09.042 No relevant target 1

Data from ChEMBL 36 via Core Engine